#!/bin/csh

#PBS -V

### Job name
#PBS -N MyJobName

### Join queuing system output and error files into a single output file
#PBS -j oe

### Send email to user when job ends or aborts
#PBS -m ae

### email address for user
#PBS -M vvv900@gmail.com

### Queue name that job is submitted to
#PBS -q hydra

### Request nodes NB THIS IS REQUIRED
####NOTE: ncpus=1-8  then progress to nodes=1-67
####           after 8 cpus, you need to use nodes= instead of ncpus=
#PBS -l ncpus=1
#PBS -l mem=1000mb,vmem=1000mb
####NOTE: need to specify in MB used to be able to use GB
#PBS -l walltime=1:00:00


# This job's working directory
echo Working directory is $PBS_O_WORKDIR
cd $PBS_O_WORKDIR
echo Running on host `hostname`
echo Time is `date`

#Load module(s) if required
#module load application_module
module load gaussian/G09

# Run the executable
@@EXECUTABLE@@ < @@INPUT@@ > @@OUTPUT@@
###or   g09 < ${PBS_JOBNAME}.gif > ${PBS_JOBNAME}.${PBS_JOBID}.log
